Found 1 result

Search term: 48063653 (Found by CSID)
ChemSpider 2D Image | (11beta)-11-Hydroxy-3,20-dioxopregn-4-en-21-oic acid | C21H28O5

(11β)-11-Hydroxy-3,20-dioxopregn-4-en-21-oic acid

  • Molecular FormulaC21H28O5
  • Average mass360.444 Da
  • Monoisotopic mass360.193665 Da
  • ChemSpider ID48063653

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(11β)-11-Hydroxy-3,20-dioxopregn-4-en-21-oic acid [ACD/IUPAC Name]
(11β)-11-Hydroxy-3,20-dioxopregn-4-en-21-säure [German] [ACD/IUPAC Name]
Acide (11β)-11-hydroxy-3,20-dioxoprégn-4-én-21-oïque [French] [ACD/IUPAC Name]
Pregn-4-en-21-oic acid, 11-hydroxy-3,20-dioxo-, (11β)- [ACD/Index Name]
11β-Hydroxy-3,20-dioxopregn-4-en-21-oic acid
2-((8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoacetic acid
2-[(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoacetic acid
33762-00-4 [RN]
Corticosterone 21-Carboxylic Acid
HDOPA

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 535.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.4±6.0 kJ/mol
    Flash Point: 291.6±26.6 °C
    Index of Refraction: 1.584
    Molar Refractivity: 94.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.13
    ACD/LogD (pH 5.5): -1.12
    ACD/BCF (pH 5.5): 1.00
    ACD/KOC (pH 5.5): 1.00
    ACD/LogD (pH 7.4): -1.90
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.00
    Polar Surface Area: 92 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 56.0±5.0 dyne/cm
    Molar Volume: 281.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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